Continuous1DFunction¶
- class openmm.openmm.Continuous1DFunction(*args)¶
This is a TabulatedFunction that computes a continuous one dimensional function.
- __init__(self, values, min, max, periodic=False) → Continuous1DFunction¶
- __init__(self, other) → Continuous1DFunction
Create a Continuous1DFunction f(x) based on a set of tabulated values.
- Parameters
values (vector< double >) – the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.
min (double) – the value of x corresponding to the first element of values
max (double) – the value of x corresponding to the last element of values
periodic (bool) – whether the interpolated function is periodic
Methods
Copy
(self)Create a deep copy of the tabulated function.
__init__
(-> Continuous1DFunction)Create a Continuous1DFunction f(x) based on a set of tabulated values.
getFunctionParameters
(self)Get the parameters for the tabulated function.
getPeriodic
(self)Get the periodicity status of the tabulated function.
getUpdateCount
(self)Get the value of a counter that is updated every time setFunctionParameters() is called.
setFunctionParameters
(self, values, min, max)Set the parameters for the tabulated function.
Attributes
The membership flag
- property thisown¶
The membership flag
- getFunctionParameters(self)¶
Get the parameters for the tabulated function.
- Returns
values (vector< double >) – the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.
min (double) – the value of x corresponding to the first element of values
max (double) – the value of x corresponding to the last element of values
- setFunctionParameters(self, values, min, max)¶
Set the parameters for the tabulated function.
- Parameters
values (vector< double >) – the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.
min (double) – the value of x corresponding to the first element of values
max (double) – the value of x corresponding to the last element of values
- Copy(self) → Continuous1DFunction¶
Create a deep copy of the tabulated function.
Deprecated
This will be removed in a future release.
- __eq__(self, other) → bool¶
- __ne__(self, other) → bool¶
- getPeriodic(self) → bool¶
Get the periodicity status of the tabulated function.
- getUpdateCount(self) → int¶
Get the value of a counter that is updated every time setFunctionParameters() is called. This provides a fast way to detect when a function has changed.